SCHEMBL7473695

SCHEMBL7473695

CC=CCn1c(C(=O)C2CCN(CCC(CN(C)C(=O)c3cc(C4C=NN=N4)ccc3OC)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.44
HRH1 P35367 2/20 0.40
TACR1 P25103 1/20 0.40
TACR3 P29371 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7473690 1.00 TACR2 (0.44) TACR2HRH1TACR1TACR3
SCHEMBL7464003 0.94 TACR2 (0.44) TACR2HRH1TACR1TACR3
SCHEMBL7473614 0.94 TACR2 (0.44) TACR2HRH1TACR1TACR3
SCHEMBL7472253 0.91 HRH1 (0.50) TACR2HRH1
SCHEMBL7478141 0.91 TACR2 (0.44) TACR2HRH1
SCHEMBL7472937 0.89 TACR2 (0.43) TACR2HRH1
SCHEMBL7467147 0.88 HRH1 (0.44) TACR2HRH1
SCHEMBL6597574 0.88 TACR2 (0.42) TACR2TACR1TACR3
SCHEMBL6597576 0.88 TACR2 (0.42) TACR2TACR1TACR3
SCHEMBL7472879 0.85 TACR2 (0.47) TACR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882038-B1 SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-12-18 EP disclosed
US-6297259-B1 HISTAMINE RECEPTOR ANTAGONISTS AND TACHYKININ RECEPTOR ANTAGONISTS. AVENTIS PHARMACEUTICALS INC. 2001-10-02 US disclosed
US-5998439-A RESPIRATORY SYSTEM DISORDERS Hoescht Marion Roussel, Inc. (US) 1999-12-07 US disclosed
EP-0882038-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-12-09 EP disclosed
WO-1997030990-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed